#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k43 s LYS 2 N 0.00 4.15 0.01 -3.48 2.20 -1.26 -3.76 119.74 117.60 2k43 s LYS 2 Ca 0.00 2.52 -0.00 0.00 -0.36 0.00 0.00 55.97 58.12 2k43 s LYS 2 Cb 0.00 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 2k43 s LYS 2 CO 0.00 -0.55 0.01 1.63 -0.36 0.00 0.00 175.35 176.08 2k43 n LYS 3 N 1.64 0.02 -1.18 4.03 5.02 -1.26 -4.98 118.16 121.45 2k43 n LYS 3 Ca 0.05 -0.03 -0.46 0.00 -2.02 0.00 0.00 58.31 55.85 2k43 n LYS 3 Cb 0.39 0.04 -0.06 0.00 -0.02 0.00 0.00 35.03 35.38 2k43 n LYS 3 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2k43 n PRO 4 N -0.01 0.00 -3.42 1.97 -0.01 -1.26 -4.51 135.00 127.76 2k43 n PRO 4 Ca -0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 63.50 63.19 2k43 n PRO 4 Cb 0.01 -1.18 -0.04 0.00 -0.01 0.00 0.00 33.50 32.28 2k43 n PRO 4 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 175.50 175.70 2k43 s LYS 5 N 0.02 3.65 -0.08 -0.52 2.20 0.41 -2.00 119.74 123.42 2k43 s LYS 5 Ca 0.72 0.02 -0.08 0.00 -0.36 0.00 0.00 55.97 56.26 2k43 s LYS 5 Cb -1.00 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2k43 s LYS 5 CO 0.45 0.28 0.20 -1.17 -0.36 0.00 0.00 175.35 174.75 2k43 s LEU 6 N -3.28 4.40 -0.76 5.43 2.96 0.18 -2.06 118.68 125.55 2k43 s LEU 6 Ca 0.44 0.55 -0.17 0.00 -0.22 0.00 0.00 54.13 54.72 2k43 s LEU 6 Cb -0.11 -2.26 0.15 0.00 0.50 0.00 0.00 46.19 44.47 2k43 s LEU 6 CO 0.27 0.37 0.84 -0.22 -1.32 0.00 0.00 176.35 176.30 2k43 s LEU 7 N -1.19 5.71 -0.43 -0.68 0.20 -1.26 -3.15 118.68 117.88 2k43 s LEU 7 Ca 0.19 -1.99 -0.02 0.00 0.69 0.00 0.00 54.13 52.99 2k43 s LEU 7 Cb -0.13 -2.30 0.12 0.00 -0.43 0.00 0.00 46.19 43.45 2k43 s LEU 7 CO 0.08 -0.94 0.23 -0.47 -0.29 0.00 0.00 176.35 174.96 2k43 s TYR 8 N 1.92 3.57 -0.15 5.38 5.04 -1.08 -3.62 117.35 128.41 2k43 s TYR 8 Ca 0.19 -2.49 -0.02 0.00 -2.44 0.00 0.00 57.07 52.32 2k43 s TYR 8 Cb -0.14 -3.21 -0.02 0.00 0.35 0.00 0.00 41.96 38.94 2k43 s TYR 8 CO -0.03 -0.95 -0.08 0.00 -1.34 0.00 0.00 175.55 173.15 2k43 s SER 10 N 0.45 4.88 0.27 0.00 0.01 -1.16 -3.92 113.70 114.24 2k43 s SER 10 Ca -0.07 -1.01 0.05 0.00 1.31 0.00 0.00 55.95 56.23 2k43 s SER 10 Cb -0.15 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 2k43 s SER 10 CO 0.04 -0.22 0.40 0.21 0.41 0.00 0.00 173.24 174.07 2k43 s ASN 11 N 1.36 6.25 -1.06 2.44 2.47 -1.26 -5.01 114.94 120.14 2k43 s ASN 11 Ca -0.01 0.06 -0.25 0.00 0.42 0.00 0.00 52.86 53.09 2k43 s ASN 11 Cb -0.18 -1.76 -0.13 0.00 -1.45 0.00 0.00 41.25 37.72 2k43 s ASN 11 CO -0.00 -0.16 2.05 -0.83 -3.72 0.00 0.00 177.10 174.44 2k43 s GLY 12 N -4.02 -0.36 0.00 1.21 0.00 -1.26 -4.16 107.32 98.73 2k43 s GLY 12 Ca 0.37 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.42 2k43 s GLY 12 CO 0.30 3.86 0.00 0.61 0.00 0.00 0.00 173.10 177.87 2k43 n GLY 13 N 6.22 0.58 3.32 0.20 0.00 -1.26 -5.15 105.19 109.09 2k43 n GLY 13 Ca 0.43 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 2k43 n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k43 s HIS 14 N -0.04 1.53 -0.07 1.61 3.76 -1.26 -4.56 115.29 116.27 2k43 s HIS 14 Ca 0.00 -1.16 -0.06 0.00 -0.15 0.00 0.00 55.06 53.69 2k43 s HIS 14 Cb 0.00 -0.90 0.02 0.00 1.11 0.00 0.00 32.58 32.81 2k43 s HIS 14 CO 0.00 -0.31 0.17 -0.06 -0.85 0.00 0.00 174.74 173.70 2k43 s PHE 15 N -3.72 -0.19 0.23 1.40 0.40 0.11 -4.79 117.98 111.42 2k43 s PHE 15 Ca 0.37 0.47 -0.30 0.00 -0.60 0.00 0.00 56.93 56.87 2k43 s PHE 15 Cb 0.08 0.06 -0.09 0.00 0.51 0.00 0.00 43.02 43.58 2k43 s PHE 15 CO 0.13 -0.09 1.07 -0.48 0.70 0.00 0.00 175.22 176.54 2k43 s LEU 16 N 0.11 4.55 -0.04 -0.37 2.34 -1.24 0.55 118.68 124.58 2k43 s LEU 16 Ca -0.00 2.14 0.02 0.00 0.06 0.00 0.00 54.13 56.34 2k43 s LEU 16 Cb -0.01 -3.61 0.01 0.00 -0.56 0.00 0.00 46.19 42.02 2k43 s LEU 16 CO 0.00 -0.12 -0.08 -0.60 -1.06 0.00 0.00 176.35 174.50 2k43 s ARG 17 N -0.97 1.09 -0.15 1.48 3.52 0.28 -4.08 118.95 120.11 2k43 s ARG 17 Ca 0.46 -0.24 -0.12 0.00 -0.13 0.00 0.00 55.73 55.69 2k43 s ARG 17 Cb -0.30 -0.99 -0.05 0.00 -1.56 0.00 0.00 34.95 32.05 2k43 s ARG 17 CO 0.37 0.01 0.26 0.96 -0.81 0.00 0.00 175.30 176.08 2k43 s ILE 18 N 0.62 5.32 -0.12 4.11 -5.25 -1.24 -2.69 121.20 121.94 2k43 s ILE 18 Ca -0.10 0.47 -0.05 0.00 -0.99 0.00 0.00 60.65 59.98 2k43 s ILE 18 Cb -0.13 -3.58 -0.04 0.00 2.95 0.00 0.00 42.46 41.66 2k43 s ILE 18 CO 0.01 0.44 0.05 -0.76 -1.79 0.00 0.00 174.94 172.90 2k43 s LEU 19 N 0.14 3.85 0.00 0.37 1.02 -1.10 -4.98 118.68 117.98 2k43 s LEU 19 Ca 0.15 0.20 0.10 0.00 0.02 0.00 0.00 54.13 54.60 2k43 s LEU 19 Cb -0.13 -1.92 0.58 0.00 0.02 0.00 0.00 46.19 44.74 2k43 s LEU 19 CO 0.04 0.32 1.10 -2.65 0.02 0.00 0.00 176.35 175.18 2k43 n PRO 20 N 2.52 0.65 0.14 1.29 -0.02 -1.26 -0.32 135.00 138.00 2k43 n PRO 20 Ca -0.18 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.41 2k43 n PRO 20 Cb 0.54 -1.23 0.12 0.00 -0.02 0.00 0.00 33.50 32.90 2k43 n PRO 20 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2k43 h ASP 21 N 0.00 0.00 0.00 2.55 5.19 -1.94 -3.46 116.42 118.76 2k43 h ASP 21 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2k43 h ASP 21 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2k43 h ASP 21 CO 0.00 0.02 0.00 0.61 -3.12 0.00 0.00 179.24 176.75 2k43 n GLY 22 N 1.19 0.77 3.20 2.75 0.00 0.57 -4.94 105.19 108.72 2k43 n GLY 22 Ca 0.02 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 2k43 n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k43 s THR 23 N -0.32 1.60 -0.36 2.61 2.01 -1.00 -2.82 115.64 117.36 2k43 s THR 23 Ca 0.00 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 2k43 s THR 23 Cb 0.00 -1.34 0.09 0.00 0.01 0.00 0.00 72.50 71.26 2k43 s THR 23 CO 0.00 0.45 0.09 0.54 -0.69 0.00 0.00 174.62 175.02 2k43 s VAL 24 N -0.30 2.85 0.13 3.82 0.11 -1.22 -2.70 120.40 123.09 2k43 s VAL 24 Ca 0.03 -1.98 0.03 0.00 -2.93 0.00 0.00 61.98 57.14 2k43 s VAL 24 Cb -0.09 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.80 2k43 s VAL 24 CO 0.01 -0.50 -0.07 1.51 -3.33 0.00 0.00 175.10 172.71 2k43 s ASP 25 N 1.38 1.48 -0.01 3.54 1.47 -1.10 -1.38 116.67 122.06 2k43 s ASP 25 Ca 0.05 -1.04 -0.15 0.00 1.18 0.00 0.00 52.55 52.60 2k43 s ASP 25 Cb -0.21 0.05 -0.06 0.00 -0.34 0.00 0.00 42.92 42.36 2k43 s ASP 25 CO -0.05 -0.42 0.40 -0.83 0.68 0.00 0.00 175.17 174.95 2k43 s GLY 26 N -3.13 2.47 -0.00 2.12 0.00 -0.39 0.10 107.32 108.49 2k43 s GLY 26 Ca 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 44.72 44.59 2k43 s GLY 26 CO -0.01 0.14 0.11 -1.59 0.00 0.00 0.00 173.10 171.76 2k43 s THR 27 N -1.03 0.08 -0.42 0.90 2.01 0.19 -4.61 115.64 112.77 2k43 s THR 27 Ca 0.23 -0.64 -0.28 0.00 0.31 0.00 0.00 61.69 61.32 2k43 s THR 27 Cb -0.16 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 71.99 2k43 s THR 27 CO 0.13 -0.35 1.05 0.00 -0.69 0.00 0.00 174.62 174.76 2k43 s ARG 28 N -1.22 3.79 0.25 4.92 1.70 -1.26 0.05 118.95 127.19 2k43 s ARG 28 Ca -0.13 0.62 0.02 0.00 -0.47 0.00 0.00 55.73 55.77 2k43 s ARG 28 Cb -0.07 -3.85 -0.05 0.00 -0.57 0.00 0.00 34.95 30.40 2k43 s ARG 28 CO 0.01 -1.16 0.06 0.34 -1.08 0.00 0.00 175.30 173.47 2k43 s ASP 29 N 2.14 1.43 -0.05 -2.89 -1.08 -1.26 -4.96 116.67 110.00 2k43 s ASP 29 Ca 0.44 -1.33 0.05 0.00 -0.52 0.00 0.00 52.55 51.19 2k43 s ASP 29 Cb -0.10 0.10 0.25 0.00 -1.46 0.00 0.00 42.92 41.72 2k43 s ASP 29 CO 0.25 -0.66 0.98 0.54 0.52 0.00 0.00 175.17 176.80 2k43 n ARG 30 N -0.45 2.05 -4.07 4.34 1.74 -1.26 -4.71 116.66 114.29 2k43 n ARG 30 Ca -0.02 -0.97 -0.32 0.00 -0.77 0.00 0.00 57.85 55.78 2k43 n ARG 30 Cb 0.66 -1.58 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 2k43 n ARG 30 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2k43 n SER 31 N 0.20 -2.80 -1.99 0.55 3.41 -1.26 -4.96 113.62 106.77 2k43 n SER 31 Ca 0.09 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 2k43 n SER 31 Cb 0.45 -3.12 0.00 0.00 -0.26 0.00 0.00 64.21 61.28 2k43 n SER 31 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k43 n ASP 32 N -2.79 0.00 -0.79 4.04 2.03 -1.26 -4.75 116.55 113.03 2k43 n ASP 32 Ca -0.04 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.30 2k43 n ASP 32 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2k43 n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k43 n GLN 33 N -0.97 0.15 0.00 -0.67 6.02 -1.26 -0.47 117.38 120.18 2k43 n GLN 33 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k43 n GLN 33 Cb 0.00 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2k43 n GLN 33 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k43 n HIS 34 N 0.72 0.00 1.10 1.08 8.25 -1.26 -4.65 115.22 120.45 2k43 n HIS 34 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 2k43 n HIS 34 Cb 0.06 0.00 0.37 0.00 1.12 0.00 0.00 29.99 31.53 2k43 n HIS 34 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2k43 n ILE 35 N -0.98 0.00 -3.02 1.59 -0.00 0.38 -3.68 119.36 113.64 2k43 n ILE 35 Ca 0.00 -0.03 -0.44 0.00 -0.00 0.00 0.00 62.75 62.28 2k43 n ILE 35 Cb 0.08 0.14 -0.05 0.00 -0.00 0.00 0.00 39.64 39.81 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k43 s GLN 36 N -2.84 3.12 0.01 0.38 0.00 -1.25 -4.45 119.66 114.63 2k43 s GLN 36 Ca 0.16 -0.95 0.05 0.00 -0.00 0.00 0.00 55.36 54.63 2k43 s GLN 36 Cb 0.18 -4.19 -0.03 0.00 0.00 0.00 0.00 33.01 28.98 2k43 s GLN 36 CO 0.62 -1.53 -0.14 -0.48 0.00 0.00 0.00 175.29 173.76 2k43 s LEU 37 N 3.20 2.80 -0.46 2.60 0.05 -0.87 -2.46 118.68 123.53 2k43 s LEU 37 Ca 0.18 -0.30 -0.18 0.00 0.05 0.00 0.00 54.13 53.87 2k43 s LEU 37 Cb -0.19 -1.62 0.04 0.00 -2.05 0.00 0.00 46.19 42.37 2k43 s LEU 37 CO 0.10 0.28 0.54 -1.58 -0.55 0.00 0.00 176.35 175.14 2k43 s GLN 38 N -1.31 3.12 -0.42 1.48 0.74 0.21 0.16 119.66 123.63 2k43 s GLN 38 Ca 0.15 -0.82 -0.05 0.00 0.05 0.00 0.00 55.36 54.70 2k43 s GLN 38 Cb -0.11 -4.03 0.11 0.00 1.10 0.00 0.00 33.01 30.08 2k43 s GLN 38 CO 0.05 -1.04 0.23 -1.17 -0.55 0.00 0.00 175.29 172.81 2k43 s LEU 39 N 2.37 5.28 0.40 3.68 1.98 -1.26 -1.38 118.68 129.76 2k43 s LEU 39 Ca 0.14 -1.93 0.08 0.00 -2.89 0.00 0.00 54.13 49.53 2k43 s LEU 39 Cb -0.18 -1.88 -0.04 0.00 0.66 0.00 0.00 46.19 44.75 2k43 s LEU 39 CO 0.13 -0.56 0.23 -0.94 -1.89 0.00 0.00 176.35 173.32 2k43 s SER 40 N 2.01 4.68 -0.40 3.68 1.04 -1.15 -4.91 113.70 118.65 2k43 s SER 40 Ca 0.07 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 2k43 s SER 40 Cb -0.23 -0.56 0.10 0.00 0.10 0.00 0.00 66.02 65.42 2k43 s SER 40 CO -0.03 -0.53 0.20 0.00 0.98 0.00 0.00 173.24 173.86 2k43 s ALA 41 N -2.52 3.15 -0.23 5.32 0.00 -1.26 -0.98 121.76 125.23 2k43 s ALA 41 Ca 0.43 -2.40 -0.11 0.00 0.00 0.00 0.00 51.96 49.87 2k43 s ALA 41 Cb 0.00 -2.41 -0.17 0.00 0.00 0.00 0.00 23.12 20.53 2k43 s ALA 41 CO 0.24 -1.73 -0.05 0.39 0.00 0.00 0.00 175.76 174.61 2k43 n GLU 42 N 4.66 0.63 -4.18 0.00 -0.58 -1.00 -4.94 120.64 115.22 2k43 n GLU 42 Ca -0.05 0.32 -0.23 0.00 -0.42 0.00 0.00 57.16 56.78 2k43 n GLU 42 Cb 0.42 -1.60 -0.07 0.00 -0.57 0.00 0.00 31.44 29.62 2k43 n GLU 42 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2k43 s SER 43 N -7.04 4.63 -0.13 1.62 0.15 -1.22 -5.04 113.70 106.68 2k43 s SER 43 Ca -0.33 -0.73 -0.32 0.00 0.70 0.00 0.00 55.95 55.28 2k43 s SER 43 Cb 0.10 -0.78 -0.09 0.00 -1.71 0.00 0.00 66.02 63.53 2k43 s SER 43 CO 0.59 -0.18 2.04 0.55 1.20 0.00 0.00 173.24 177.43 2k43 n VAL 44 N -1.05 0.52 0.00 4.45 3.14 -1.26 -1.47 118.33 122.66 2k43 n VAL 44 Ca -0.04 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2k43 n VAL 44 Cb 0.60 -2.13 0.00 0.00 -1.06 0.00 0.00 33.84 31.25 2k43 n VAL 44 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k43 n GLY 45 N 5.09 2.74 3.88 7.55 0.00 -1.26 -5.00 105.19 118.19 2k43 n GLY 45 Ca 0.26 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2k43 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k43 s GLU 46 N 0.00 3.40 0.02 1.61 -1.05 -0.54 -0.97 118.70 121.16 2k43 s GLU 46 Ca 0.00 -0.26 0.05 0.00 -0.15 0.00 0.00 54.97 54.61 2k43 s GLU 46 Cb 0.00 -3.11 -0.03 0.00 -0.44 0.00 0.00 34.13 30.55 2k43 s GLU 46 CO 0.00 0.72 -0.11 0.14 0.95 0.00 0.00 175.26 176.96 2k43 s VAL 47 N -1.19 3.33 -0.18 1.83 -7.23 -0.28 -2.37 120.40 114.32 2k43 s VAL 47 Ca 0.22 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.45 2k43 s VAL 47 Cb -0.12 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2k43 s VAL 47 CO 0.12 0.37 -0.13 -0.47 -0.31 0.00 0.00 175.10 174.68 2k43 s TYR 48 N -0.97 2.84 -0.51 2.82 5.04 -0.15 -3.11 117.35 123.31 2k43 s TYR 48 Ca 0.16 -1.15 -0.15 0.00 -2.44 0.00 0.00 57.07 53.49 2k43 s TYR 48 Cb -0.11 -1.96 0.11 0.00 0.35 0.00 0.00 41.96 40.35 2k43 s TYR 48 CO 0.07 -0.57 0.45 0.42 -1.34 0.00 0.00 175.55 174.58 2k43 s ILE 49 N 1.13 5.14 0.14 3.14 1.01 -1.26 -2.91 121.20 127.59 2k43 s ILE 49 Ca 0.01 -1.38 0.09 0.00 0.00 0.00 0.00 60.65 59.37 2k43 s ILE 49 Cb -0.14 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2k43 s ILE 49 CO -0.04 -0.77 -0.17 -1.59 0.00 0.00 0.00 174.94 172.37 2k43 s LYS 50 N 1.60 1.82 0.01 2.79 -2.85 -0.48 -4.58 119.74 118.05 2k43 s LYS 50 Ca 0.03 -1.25 -0.29 0.00 -1.00 0.00 0.00 55.97 53.47 2k43 s LYS 50 Cb -0.28 -2.09 -0.04 0.00 -2.06 0.00 0.00 37.83 33.36 2k43 s LYS 50 CO 0.04 0.46 0.91 -1.54 0.10 0.00 0.00 175.35 175.32 2k43 s SER 51 N -2.39 7.31 0.00 0.03 1.04 -1.22 0.63 113.70 119.10 2k43 s SER 51 Ca 0.20 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.22 2k43 s SER 51 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2k43 s SER 51 CO 0.11 -0.19 0.00 0.41 0.98 0.00 0.00 173.24 174.56 2k43 n THR 52 N 3.63 0.00 -0.10 2.02 -1.04 -1.22 -4.71 114.28 112.86 2k43 n THR 52 Ca 0.04 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.82 2k43 n THR 52 Cb 0.51 -0.07 -0.12 0.00 -1.82 0.00 0.00 70.33 68.83 2k43 n THR 52 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k43 n GLU 53 N 0.00 0.57 -0.35 -2.82 4.07 -1.26 -4.61 120.64 116.25 2k43 n GLU 53 Ca 0.00 0.56 0.08 0.00 -0.06 0.00 0.00 57.16 57.73 2k43 n GLU 53 Cb 0.00 -1.74 0.20 0.00 -0.06 0.00 0.00 31.44 29.84 2k43 n GLU 53 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2k43 n THR 54 N -4.39 2.16 0.05 6.31 -1.04 -1.26 -4.91 114.28 111.19 2k43 n THR 54 Ca -0.33 -2.23 0.06 0.00 -2.04 0.00 0.00 64.05 59.52 2k43 n THR 54 Cb 0.70 -0.26 -0.06 0.00 -1.82 0.00 0.00 70.33 68.89 2k43 n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k43 n GLY 55 N -0.99 -1.28 0.00 3.41 0.00 -1.03 -4.55 105.19 100.75 2k43 n GLY 55 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k43 n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k43 n GLN 56 N -2.70 0.00 -2.80 1.61 6.02 -1.17 -4.28 117.38 114.06 2k43 n GLN 56 Ca -0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.51 2k43 n GLN 56 Cb 0.69 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.96 2k43 n GLN 56 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2k43 n TYR 57 N -1.39 2.43 -2.36 1.08 9.36 -0.84 -3.04 117.16 122.39 2k43 n TYR 57 Ca 0.00 -2.60 -0.43 0.00 3.32 0.00 0.00 57.90 58.19 2k43 n TYR 57 Cb 0.00 -1.35 -0.02 0.00 -0.63 0.00 0.00 39.34 37.33 2k43 n TYR 57 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2k43 s LEU 58 N -2.75 4.23 -0.04 2.98 0.20 -1.26 -3.09 118.68 118.95 2k43 s LEU 58 Ca 0.35 1.83 -0.01 0.00 0.69 0.00 0.00 54.13 56.98 2k43 s LEU 58 Cb 0.09 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.34 2k43 s LEU 58 CO 0.04 -0.74 0.04 0.00 -0.29 0.00 0.00 176.35 175.40 2k43 s ALA 59 N 3.18 0.23 0.25 5.97 0.00 -0.66 -2.11 121.76 128.62 2k43 s ALA 59 Ca 0.58 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 52.50 2k43 s ALA 59 Cb -0.25 -0.51 -0.09 0.00 0.00 0.00 0.00 23.12 22.28 2k43 s ALA 59 CO 0.19 -0.36 0.83 0.00 0.00 0.00 0.00 175.76 176.43 2k43 s MET 60 N 1.78 4.48 -0.36 0.00 0.23 -1.21 -1.75 119.30 122.47 2k43 s MET 60 Ca 0.00 1.14 -0.02 0.00 -1.03 0.00 0.00 55.69 55.78 2k43 s MET 60 Cb -0.12 -2.95 0.08 0.00 -1.53 0.00 0.00 34.83 30.30 2k43 s MET 60 CO -0.03 0.40 0.11 0.34 -2.03 0.00 0.00 175.02 173.80 2k43 s ASP 61 N -1.51 5.09 0.00 -1.18 2.15 -1.04 -4.61 116.67 115.57 2k43 s ASP 61 Ca 0.44 -1.67 0.00 0.00 0.43 0.00 0.00 52.55 51.75 2k43 s ASP 61 Cb -0.19 -1.78 0.00 0.00 -0.30 0.00 0.00 42.92 40.65 2k43 s ASP 61 CO 0.24 -0.41 0.00 0.35 -0.17 0.00 0.00 175.17 175.18 2k43 n THR 62 N 4.60 0.00 -0.91 1.71 -2.24 -1.26 -1.31 114.28 114.87 2k43 n THR 62 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2k43 n THR 62 Cb 0.42 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2k43 n THR 62 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k43 n ASP 63 N -0.47 -2.74 -0.00 3.42 2.03 -1.26 -4.86 116.55 112.66 2k43 n ASP 63 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2k43 n ASP 63 Cb 0.28 -0.46 -0.08 0.00 -0.72 0.00 0.00 41.12 40.14 2k43 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k43 n GLY 64 N -2.91 -0.30 3.60 0.27 0.00 -0.43 -3.77 105.19 101.65 2k43 n GLY 64 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 2k43 n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k43 s LEU 65 N -3.05 -0.90 -0.36 0.99 0.20 -1.23 0.86 118.68 115.20 2k43 s LEU 65 Ca 0.01 1.30 -0.15 0.00 0.69 0.00 0.00 54.13 55.99 2k43 s LEU 65 Cb 0.09 2.12 -0.01 0.00 -0.43 0.00 0.00 46.19 47.96 2k43 s LEU 65 CO 0.51 -0.19 0.33 -0.76 -0.29 0.00 0.00 176.35 175.95 2k43 s LEU 66 N 2.28 4.58 0.05 -0.68 2.01 -0.81 -2.49 118.68 123.60 2k43 s LEU 66 Ca -0.07 -0.40 0.06 0.00 0.01 0.00 0.00 54.13 53.73 2k43 s LEU 66 Cb -0.08 -2.27 -0.02 0.00 0.01 0.00 0.00 46.19 43.83 2k43 s LEU 66 CO -0.18 -0.35 -0.16 -0.72 1.01 0.00 0.00 176.35 175.94 2k43 s TYR 67 N 1.92 1.41 -0.06 0.29 1.13 -0.72 -4.34 117.35 116.98 2k43 s TYR 67 Ca 0.10 -0.37 -0.29 0.00 -1.41 0.00 0.00 57.07 55.09 2k43 s TYR 67 Cb -0.17 -0.83 0.11 0.00 -1.10 0.00 0.00 41.96 39.96 2k43 s TYR 67 CO 0.11 0.06 0.89 0.20 -2.51 0.00 0.00 175.55 174.31 2k43 s GLY 68 N -1.22 -0.41 0.28 5.49 0.00 -1.13 -1.65 107.32 108.68 2k43 s GLY 68 Ca 0.03 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.17 2k43 s GLY 68 CO 0.02 0.67 0.00 -1.26 0.00 0.00 0.00 173.10 172.53 2k43 n SER 69 N 0.26 -1.27 -0.08 1.64 2.88 -1.18 -2.37 113.62 113.51 2k43 n SER 69 Ca -0.11 0.51 -0.21 0.00 -1.33 0.00 0.00 58.87 57.73 2k43 n SER 69 Cb 0.60 1.34 -0.12 0.00 -0.75 0.00 0.00 64.21 65.28 2k43 n SER 69 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2k43 h GLN 70 N 0.00 0.06 -4.29 -1.46 4.20 -1.84 -2.22 115.11 109.56 2k43 h GLN 70 Ca 0.00 -0.10 -0.32 0.00 0.06 0.00 0.00 58.65 58.29 2k43 h GLN 70 Cb 0.00 0.04 -0.28 0.00 0.30 0.00 0.00 27.48 27.54 2k43 h GLN 70 CO 0.00 1.05 -0.75 0.99 -0.67 0.00 0.00 178.83 179.45 2k43 s THR 71 N -2.39 0.39 -0.40 -0.54 2.01 -1.25 -4.46 115.64 109.00 2k43 s THR 71 Ca -0.26 -0.27 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 2k43 s THR 71 Cb 0.05 -0.35 0.08 0.00 0.01 0.00 0.00 72.50 72.30 2k43 s THR 71 CO 0.64 0.08 0.21 -2.16 -0.69 0.00 0.00 174.62 172.70 2k43 s PRO 72 N -0.21 2.42 0.64 4.92 0.04 -1.17 -3.62 135.00 138.02 2k43 s PRO 72 Ca 0.01 -1.54 0.01 0.00 0.04 0.00 0.00 61.00 59.53 2k43 s PRO 72 Cb -0.02 -3.66 0.12 0.00 0.04 0.00 0.00 34.50 30.98 2k43 s PRO 72 CO -0.00 -0.95 0.87 -1.71 0.04 0.00 0.00 177.00 175.25 2k43 n ASN 73 N 4.79 1.34 -4.28 6.66 4.05 -1.26 -4.91 115.26 121.65 2k43 n ASN 73 Ca -0.08 -2.09 -0.44 0.00 0.45 0.00 0.00 54.58 52.41 2k43 n ASN 73 Cb 0.42 -0.55 -0.07 0.00 1.23 0.00 0.00 39.78 40.82 2k43 n ASN 73 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 2k43 s GLU 74 N -4.77 2.80 0.00 1.20 -1.05 -1.26 -3.40 118.70 112.22 2k43 s GLU 74 Ca 0.59 -1.70 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 2k43 s GLU 74 Cb -0.04 -4.14 0.00 0.00 -0.44 0.00 0.00 34.13 29.51 2k43 s GLU 74 CO 0.39 -1.25 0.00 0.39 0.95 0.00 0.00 175.26 175.74 2k43 n GLU 75 N 5.12 2.72 0.00 -4.83 -0.58 -1.26 -4.79 120.64 117.02 2k43 n GLU 75 Ca -0.12 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.75 2k43 n GLU 75 Cb 0.41 -0.77 0.57 0.00 -0.57 0.00 0.00 31.44 31.07 2k43 n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k43 s LEU 77 N -2.87 4.27 0.15 0.00 0.05 -1.26 -4.44 118.68 114.58 2k43 s LEU 77 Ca 0.16 1.44 0.02 0.00 0.05 0.00 0.00 54.13 55.80 2k43 s LEU 77 Cb 0.17 -3.43 -0.05 0.00 -2.05 0.00 0.00 46.19 40.83 2k43 s LEU 77 CO 0.44 -0.36 -0.02 -0.36 -0.55 0.00 0.00 176.35 175.50 2k43 s PHE 78 N 1.68 1.14 -0.03 3.48 0.08 -1.18 -3.94 117.98 119.22 2k43 s PHE 78 Ca 0.46 -0.98 -0.19 0.00 0.12 0.00 0.00 56.93 56.34 2k43 s PHE 78 Cb -0.18 -0.65 -0.05 0.00 -0.57 0.00 0.00 43.02 41.57 2k43 s PHE 78 CO 0.19 -0.18 0.54 -1.17 -0.10 0.00 0.00 175.22 174.51 2k43 s LEU 79 N -3.14 4.39 -0.16 -0.37 0.20 0.40 -1.12 118.68 118.88 2k43 s LEU 79 Ca 0.21 1.06 -0.12 0.00 0.69 0.00 0.00 54.13 55.96 2k43 s LEU 79 Cb 0.06 -2.83 -0.05 0.00 -0.43 0.00 0.00 46.19 42.94 2k43 s LEU 79 CO 0.02 0.11 0.23 -0.70 -0.29 0.00 0.00 176.35 175.72 2k43 s GLU 80 N -0.13 4.12 -0.08 1.98 2.12 -0.15 0.02 118.70 126.58 2k43 s GLU 80 Ca 0.29 -0.00 0.03 0.00 0.36 0.00 0.00 54.97 55.64 2k43 s GLU 80 Cb -0.17 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.84 2k43 s GLU 80 CO 0.15 0.35 -0.17 0.50 -0.54 0.00 0.00 175.26 175.54 2k43 s ARG 81 N 0.17 2.28 -0.33 4.30 3.52 -0.56 -4.90 118.95 123.43 2k43 s ARG 81 Ca 0.14 -0.62 -0.13 0.00 -0.13 0.00 0.00 55.73 55.00 2k43 s ARG 81 Cb -0.12 -1.79 -0.02 0.00 -1.56 0.00 0.00 34.95 31.45 2k43 s ARG 81 CO 0.03 0.10 0.23 -0.51 -0.81 0.00 0.00 175.30 174.34 2k43 s LEU 82 N 0.52 4.43 0.41 -0.88 1.43 -1.26 -0.05 118.68 123.28 2k43 s LEU 82 Ca -0.16 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.49 2k43 s LEU 82 Cb -0.17 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.85 2k43 s LEU 82 CO 0.06 -0.20 0.77 -0.70 0.23 0.00 0.00 176.35 176.51 2k43 s GLU 83 N 1.74 3.76 0.00 1.70 2.56 -0.99 -4.98 118.70 122.49 2k43 s GLU 83 Ca 0.06 0.45 0.22 0.00 0.00 0.00 0.00 54.97 55.71 2k43 s GLU 83 Cb -0.17 -2.39 0.69 0.00 2.00 0.00 0.00 34.13 34.27 2k43 s GLU 83 CO 0.11 -0.06 1.53 0.39 -0.56 0.00 0.00 175.26 176.67 2k43 n GLU 84 N -1.39 1.90 -0.62 4.30 1.02 -1.26 -3.22 120.64 121.36 2k43 n GLU 84 Ca 0.02 -1.35 -0.09 0.00 -0.02 0.00 0.00 57.16 55.73 2k43 n GLU 84 Cb 0.54 -1.43 0.13 0.00 -0.02 0.00 0.00 31.44 30.66 2k43 n GLU 84 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2k43 n ASN 85 N 0.58 3.45 -3.75 1.62 4.13 -1.26 -4.89 115.26 115.14 2k43 n ASN 85 Ca 0.17 -2.78 -0.33 0.00 1.68 0.00 0.00 54.58 53.32 2k43 n ASN 85 Cb 0.40 -0.66 0.04 0.00 -1.54 0.00 0.00 39.78 38.01 2k43 n ASN 85 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2k43 n HIS 86 N -0.22 -1.83 -3.65 3.10 8.25 -1.20 -5.01 115.22 114.66 2k43 n HIS 86 Ca 0.28 0.44 -0.11 0.00 -0.26 0.00 0.00 57.72 58.07 2k43 n HIS 86 Cb 1.05 -3.40 -0.05 0.00 1.12 0.00 0.00 29.99 28.70 2k43 n HIS 86 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 2k43 s TYR 87 N -3.52 -0.22 0.05 4.41 -0.85 -1.25 -5.05 117.35 110.93 2k43 s TYR 87 Ca 0.43 0.01 -0.10 0.00 -0.52 0.00 0.00 57.07 56.89 2k43 s TYR 87 Cb -0.16 0.23 -0.06 0.00 0.38 0.00 0.00 41.96 42.35 2k43 s TYR 87 CO 0.88 -0.65 0.37 1.21 -1.52 0.00 0.00 175.55 175.84 2k43 s ASN 88 N -2.49 6.64 0.25 -0.18 2.47 0.50 -2.34 114.94 119.79 2k43 s ASN 88 Ca -0.00 0.77 0.07 0.00 0.42 0.00 0.00 52.86 54.13 2k43 s ASN 88 Cb 0.01 -2.17 -0.05 0.00 -1.45 0.00 0.00 41.25 37.58 2k43 s ASN 88 CO -0.08 0.22 -0.10 -0.89 -3.72 0.00 0.00 177.10 172.53 2k43 s THR 89 N -1.32 1.72 0.01 -5.21 2.01 0.93 -1.55 115.64 112.23 2k43 s THR 89 Ca 0.30 -2.17 -0.04 0.00 0.31 0.00 0.00 61.69 60.09 2k43 s THR 89 Cb -0.14 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 2k43 s THR 89 CO 0.17 -0.41 0.05 -0.31 -0.69 0.00 0.00 174.62 173.43 2k43 s TYR 90 N -2.97 0.14 -0.03 4.92 2.02 -1.26 -1.50 117.35 118.66 2k43 s TYR 90 Ca 0.27 -0.31 0.06 0.00 -0.37 0.00 0.00 57.07 56.72 2k43 s TYR 90 Cb 0.02 -0.11 -0.02 0.00 -0.40 0.00 0.00 41.96 41.44 2k43 s TYR 90 CO 0.10 -0.23 -0.21 -1.50 -1.57 0.00 0.00 175.55 172.14 2k43 s ILE 91 N -1.36 2.44 -0.67 2.71 2.07 0.10 -1.03 121.20 125.47 2k43 s ILE 91 Ca -0.15 -0.96 -0.22 0.00 -1.41 0.00 0.00 60.65 57.91 2k43 s ILE 91 Cb -0.08 -1.89 0.07 0.00 0.13 0.00 0.00 42.46 40.69 2k43 s ILE 91 CO 0.00 0.58 0.97 -0.94 -1.91 0.00 0.00 174.94 173.64 2k43 s SER 92 N -0.65 6.19 0.00 4.50 1.04 -1.21 -0.45 113.70 123.12 2k43 s SER 92 Ca 0.10 -1.05 0.21 0.00 0.48 0.00 0.00 55.95 55.70 2k43 s SER 92 Cb -0.10 -2.42 1.06 0.00 0.10 0.00 0.00 66.02 64.66 2k43 s SER 92 CO -0.00 -1.42 1.68 0.29 0.98 0.00 0.00 173.24 174.76 2k43 n LYS 93 N 7.63 0.29 0.04 4.02 4.76 -1.25 0.30 118.16 133.95 2k43 n LYS 93 Ca -0.03 0.09 -0.02 0.00 -2.87 0.00 0.00 58.31 55.48 2k43 n LYS 93 Cb 0.45 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.14 2k43 n LYS 93 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2k43 h LYS 94 N 0.00 -0.11 -1.23 1.97 1.79 -1.88 -3.23 116.57 113.88 2k43 h LYS 94 Ca 0.00 0.01 -0.47 0.00 -2.18 0.00 0.00 60.65 58.00 2k43 h LYS 94 Cb 0.21 0.02 -0.21 0.00 -1.58 0.00 0.00 32.23 30.67 2k43 h LYS 94 CO 0.00 -0.07 0.61 0.72 -1.08 0.00 0.00 179.45 179.63 2k43 n HIS 95 N -2.42 2.33 -0.02 -1.35 8.25 -1.01 -4.51 115.22 116.50 2k43 n HIS 95 Ca -0.01 -2.31 0.07 0.00 -0.26 0.00 0.00 57.72 55.21 2k43 n HIS 95 Cb 0.04 -1.12 0.46 0.00 1.12 0.00 0.00 29.99 30.50 2k43 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k43 h ALA 96 N 1.65 1.84 -0.53 -1.41 0.00 -0.18 -0.43 119.26 120.19 2k43 h ALA 96 Ca 0.45 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.40 2k43 h ALA 96 Cb 1.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2k43 h ALA 96 CO 1.10 0.10 0.36 1.49 0.00 0.00 0.00 179.25 182.30 2k43 h GLU 97 N 0.48 0.45 -0.01 0.00 4.81 -1.84 -1.05 114.58 117.40 2k43 h GLU 97 Ca 0.19 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2k43 h GLU 97 Cb 0.17 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2k43 h GLU 97 CO -0.05 0.29 -0.12 1.63 -0.73 0.00 0.00 179.01 180.04 2k43 n LYS 98 N -4.47 1.36 -1.74 1.92 4.01 -0.19 -4.93 118.16 114.11 2k43 n LYS 98 Ca 0.07 -0.83 -0.00 0.00 -0.51 0.00 0.00 58.31 57.04 2k43 n LYS 98 Cb 0.26 -1.48 -0.00 0.00 -0.51 0.00 0.00 35.03 33.30 2k43 n LYS 98 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2k43 n ASN 99 N -0.10 -1.64 -4.81 4.39 3.02 -0.40 -5.04 115.26 110.67 2k43 n ASN 99 Ca 0.16 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.41 2k43 n ASN 99 Cb 0.37 -0.60 0.08 0.00 -0.61 0.00 0.00 39.78 39.02 2k43 n ASN 99 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2k43 s TRP 100 N -2.02 2.93 0.04 3.10 0.52 -1.17 -4.82 118.94 117.52 2k43 s TRP 100 Ca 0.00 1.21 0.08 0.00 0.02 0.00 0.00 56.10 57.41 2k43 s TRP 100 Cb 0.00 -3.06 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 2k43 s TRP 100 CO 0.00 -1.60 -0.23 -0.06 0.02 0.00 0.00 176.95 175.08 2k43 s PHE 101 N -3.14 2.02 -0.19 -1.98 0.40 -1.25 -3.28 117.98 110.56 2k43 s PHE 101 Ca 0.60 -0.39 -0.23 0.00 -0.60 0.00 0.00 56.93 56.31 2k43 s PHE 101 Cb -0.14 -1.21 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 2k43 s PHE 101 CO 0.54 0.11 0.74 0.08 0.70 0.00 0.00 175.22 177.39 2k43 s VAL 102 N -0.80 4.94 0.05 -0.44 1.01 -0.20 -4.59 120.40 120.38 2k43 s VAL 102 Ca 0.09 1.43 0.03 0.00 0.00 0.00 0.00 61.98 63.52 2k43 s VAL 102 Cb -0.09 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2k43 s VAL 102 CO 0.02 0.05 -0.09 -0.83 0.00 0.00 0.00 175.10 174.26 2k43 s GLY 103 N 1.20 0.59 -0.06 4.51 0.00 -1.26 -4.21 107.32 108.09 2k43 s GLY 103 Ca 0.34 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 44.21 2k43 s GLY 103 CO 0.11 -0.93 -0.12 -2.27 0.00 0.00 0.00 173.10 169.89 2k43 s LEU 104 N -1.78 1.63 -0.63 0.66 2.96 -0.48 -3.90 118.68 117.15 2k43 s LEU 104 Ca -0.06 -0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 53.36 2k43 s LEU 104 Cb -0.08 -0.82 0.10 0.00 0.50 0.00 0.00 46.19 45.90 2k43 s LEU 104 CO 0.00 0.03 0.77 -0.75 -1.32 0.00 0.00 176.35 175.08 2k43 s LYS 105 N 0.68 3.10 0.31 1.98 2.47 -0.93 -4.51 119.74 122.84 2k43 s LYS 105 Ca -0.14 -1.30 0.16 0.00 -1.56 0.00 0.00 55.97 53.13 2k43 s LYS 105 Cb -0.16 -4.30 0.30 0.00 -1.46 0.00 0.00 37.83 32.21 2k43 s LYS 105 CO 0.04 -1.59 1.55 1.57 0.16 0.00 0.00 175.35 177.07 2k43 h LYS 106 N 9.19 0.00 0.00 4.03 2.10 -1.77 1.59 116.57 131.71 2k43 h LYS 106 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2k43 h LYS 106 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2k43 h LYS 106 CO 1.11 0.47 0.00 -1.71 -2.00 0.00 0.00 179.45 177.31 2k43 n ASN 107 N -3.33 0.00 0.00 7.07 5.15 -1.26 -1.26 115.26 121.63 2k43 n ASN 107 Ca 0.01 0.48 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 2k43 n ASN 107 Cb 0.65 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 2k43 n ASN 107 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k43 n GLY 108 N 0.21 0.42 3.57 8.20 0.00 -0.43 -4.84 105.19 112.32 2k43 n GLY 108 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 2k43 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k43 s SER 109 N 1.00 -0.37 -0.47 1.61 1.04 0.53 -1.96 113.70 115.07 2k43 s SER 109 Ca 0.00 -0.14 -0.21 0.00 0.48 0.00 0.00 55.95 56.08 2k43 s SER 109 Cb 0.00 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2k43 s SER 109 CO 0.00 -0.84 0.69 0.00 0.98 0.00 0.00 173.24 174.07 2k43 s LYS 111 N 2.96 1.12 -0.35 0.00 0.00 -1.26 -1.93 119.74 120.29 2k43 s LYS 111 Ca 0.22 -0.72 0.00 0.00 0.00 0.00 0.00 55.97 55.47 2k43 s LYS 111 Cb -0.15 -2.35 0.14 0.00 0.00 0.00 0.00 37.83 35.47 2k43 s LYS 111 CO 0.17 -0.63 0.24 1.03 0.00 0.00 0.00 175.35 176.16 2k43 s ARG 112 N 1.62 0.53 0.04 1.78 1.81 -1.15 -4.70 118.95 118.89 2k43 s ARG 112 Ca -0.03 -1.15 -0.00 0.00 -1.72 0.00 0.00 55.73 52.83 2k43 s ARG 112 Cb -0.18 -1.16 -0.00 0.00 -0.45 0.00 0.00 34.95 33.16 2k43 s ARG 112 CO -0.08 -1.19 -0.00 0.41 -0.68 0.00 0.00 175.30 173.76 2k43 n GLY 113 N 4.20 0.03 0.34 -3.53 0.00 0.25 -3.80 105.19 102.67 2k43 n GLY 113 Ca 0.10 -0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.32 2k43 n GLY 113 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k43 h PRO 114 N -0.01 0.00 -0.29 1.61 0.11 -1.91 -0.67 132.00 130.83 2k43 h PRO 114 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2k43 h PRO 114 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2k43 h PRO 114 CO 0.00 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.33 2k43 n ARG 115 N -3.00 2.88 -2.30 1.05 3.00 -1.26 -4.93 116.66 112.09 2k43 n ARG 115 Ca -0.03 -2.07 -0.35 0.00 -0.01 0.00 0.00 57.85 55.39 2k43 n ARG 115 Cb 0.18 -1.30 -0.04 0.00 0.00 0.00 0.00 32.46 31.30 2k43 n ARG 115 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2k43 s THR 116 N -1.20 3.64 -5.00 0.55 -4.23 -0.26 -3.73 115.64 105.41 2k43 s THR 116 Ca 0.22 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2k43 s THR 116 Cb 0.13 -4.50 0.00 0.00 1.34 0.00 0.00 72.50 69.47 2k43 s THR 116 CO 0.13 -1.42 0.00 0.00 -0.54 0.00 0.00 174.62 172.79 2k43 n HIS 117 N 11.36 0.00 -2.70 3.99 1.44 -1.26 -3.87 115.22 124.17 2k43 n HIS 117 Ca 0.29 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.58 2k43 n HIS 117 Cb 0.49 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.59 2k43 n HIS 117 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 2k43 s TYR 118 N -1.89 2.93 -0.11 -1.40 5.04 -1.26 -3.97 117.35 116.69 2k43 s TYR 118 Ca 0.00 -1.54 -0.02 0.00 -2.44 0.00 0.00 57.07 53.07 2k43 s TYR 118 Cb 0.00 -4.58 -0.06 0.00 0.35 0.00 0.00 41.96 37.66 2k43 s TYR 118 CO 0.00 -1.70 -0.12 0.41 -1.34 0.00 0.00 175.55 172.80 2k43 n GLY 119 N 5.45 -0.17 3.25 8.97 0.00 -1.24 -5.07 105.19 116.38 2k43 n GLY 119 Ca 0.39 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 2k43 n GLY 119 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k43 s GLN 120 N -2.22 1.28 0.00 1.61 0.74 -1.25 -5.00 119.66 114.82 2k43 s GLN 120 Ca -0.15 -0.98 0.00 0.00 0.05 0.00 0.00 55.36 54.27 2k43 s GLN 120 Cb 0.05 -1.43 0.00 0.00 1.10 0.00 0.00 33.01 32.73 2k43 s GLN 120 CO 0.24 0.36 0.84 1.17 -0.55 0.00 0.00 175.29 177.34 2k43 n LYS 121 N 1.65 0.98 0.00 1.67 3.00 -1.26 -3.00 118.16 121.20 2k43 n LYS 121 Ca -0.18 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2k43 n LYS 121 Cb 0.53 -1.14 0.54 0.00 0.00 0.00 0.00 35.03 34.96 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k43 n ALA 122 N -0.35 2.14 1.45 3.14 0.00 -1.26 -1.47 120.51 124.16 2k43 n ALA 122 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.47 2k43 n ALA 122 Cb 0.07 -1.31 0.52 0.00 0.00 0.00 0.00 19.45 18.74 2k43 n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k43 n ILE 123 N -1.08 0.00 -3.12 0.00 5.41 -1.16 -1.38 119.36 118.03 2k43 n ILE 123 Ca 0.13 -0.17 -0.45 0.00 1.00 0.00 0.00 62.75 63.26 2k43 n ILE 123 Cb 0.09 0.31 -0.02 0.00 -0.71 0.00 0.00 39.64 39.31 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2k43 s LEU 124 N -2.21 5.83 0.15 1.39 2.96 -0.54 -4.56 118.68 121.70 2k43 s LEU 124 Ca 0.33 -2.54 -0.01 0.00 -0.22 0.00 0.00 54.13 51.69 2k43 s LEU 124 Cb 0.20 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2k43 s LEU 124 CO 0.41 -0.77 0.33 -0.36 -1.32 0.00 0.00 176.35 174.64 2k43 s PHE 125 N 1.22 3.49 -0.04 5.38 0.40 -0.59 -2.98 117.98 124.86 2k43 s PHE 125 Ca 0.28 0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.92 2k43 s PHE 125 Cb -0.07 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.67 2k43 s PHE 125 CO -0.08 0.46 -0.01 -1.17 0.70 0.00 0.00 175.22 175.12 2k43 s LEU 126 N -3.04 1.03 -0.42 -0.37 2.96 0.71 -0.37 118.68 119.19 2k43 s LEU 126 Ca 0.37 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.12 2k43 s LEU 126 Cb -0.12 -0.30 0.06 0.00 0.50 0.00 0.00 46.19 46.33 2k43 s LEU 126 CO 0.28 -0.12 0.27 -2.16 -1.32 0.00 0.00 176.35 173.31 2k43 s PRO 127 N 1.24 2.77 -0.27 0.98 0.04 -1.26 -2.64 135.00 135.86 2k43 s PRO 127 Ca -0.06 -1.30 0.01 0.00 0.04 0.00 0.00 61.00 59.69 2k43 s PRO 127 Cb -0.13 -3.85 0.05 0.00 0.04 0.00 0.00 34.50 30.61 2k43 s PRO 127 CO -0.02 -0.88 -0.08 -0.51 0.04 0.00 0.00 177.00 175.55 2k43 s LEU 128 N 1.52 3.48 0.49 -3.56 1.43 -1.19 -4.95 118.68 115.91 2k43 s LEU 128 Ca 0.03 -1.26 -0.09 0.00 -1.03 0.00 0.00 54.13 51.77 2k43 s LEU 128 Cb -0.22 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2k43 s LEU 128 CO 0.05 -0.19 0.86 -2.16 0.23 0.00 0.00 176.35 175.13 2k43 s PRO 129 N 1.18 3.66 -0.31 1.29 0.04 -1.26 0.50 135.00 140.09 2k43 s PRO 129 Ca -0.06 0.48 -0.22 0.00 0.04 0.00 0.00 61.00 61.23 2k43 s PRO 129 Cb -0.19 -2.29 -0.00 0.00 0.04 0.00 0.00 34.50 32.06 2k43 s PRO 129 CO -0.04 -0.25 0.72 0.14 0.04 0.00 0.00 177.00 177.61 2k43 s VAL 130 N -2.73 4.84 -0.21 -0.36 -7.23 -0.85 -4.87 120.40 109.00 2k43 s VAL 130 Ca 0.51 1.02 -0.24 0.00 -1.81 0.00 0.00 61.98 61.46 2k43 s VAL 130 Cb -0.10 -4.10 -0.01 0.00 0.56 0.00 0.00 36.38 32.73 2k43 s VAL 130 CO 0.42 -0.23 0.78 -0.94 -0.31 0.00 0.00 175.10 174.82 2k43 s SER 131 N 1.65 6.84 -0.43 4.85 1.04 -1.26 -4.20 113.70 122.19 2k43 s SER 131 Ca 0.29 1.03 0.04 0.00 0.48 0.00 0.00 55.95 57.79 2k43 s SER 131 Cb -0.14 -2.42 0.17 0.00 0.10 0.00 0.00 66.02 63.72 2k43 s SER 131 CO 0.13 -0.41 0.34 -0.44 0.98 0.00 0.00 173.24 173.83 2k43 s SER 132 N 1.25 1.81 0.00 7.02 0.01 -1.25 -5.07 113.70 117.47 2k43 s SER 132 Ca 0.34 -3.04 0.19 0.00 1.31 0.00 0.00 55.95 54.75 2k43 s SER 132 Cb -0.16 -0.52 0.15 0.00 0.21 0.00 0.00 66.02 65.70 2k43 s SER 132 CO 0.10 -0.18 1.09 -0.67 0.41 0.00 0.00 173.24 173.99